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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Mixed Self-Assembled Monolayers for High-Photovoltage Tin Perovskite Solar Cells

Self-assembled monolayers (SAMs) are used as potent hole transport layers (HTLs) in lead-based perovskite solar cells, enabling large quasi-Fermi level splitting for high photovoltage (>1.1 V) with a deficit of <0.5 V. However, tin-based perovskite solar cells (TPSCs) with SAM HTLs suffer from low photovoltage (<0.65 V) with a deficit of >0.7 V. Herein we employ a holistic approach to tackle this significant challenge by designing a mixed SAM, engineering a compatible tin perovskite thin film, and leveraging an efficient electron transport layer. Consequently, high photovoltage of 0.829 V is achieved with an efficiency of 9.4%, which is a record to our knowledge among TPSCs using SAMs as sole HTLs. Finally, while SAMs have been little used in TPSCs thus far, our holistic approach should catalyze their future advancements toward outperformance.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Unraveling the Formation Mechanisms of Highly Oriented Tin Perovskite with a 3D-over-2D Heterostructure

Tin-based perovskites (TinPVKs) have become the most promising candidates for lead-free perovskite solar cells, owing to its low toxicity and improved photovoltaic performance. However, due to the absence of 4f shell, TinPVKs suffer from uncontrolled crystallization, limiting the power conversion efficiency (PCE) of tin perovskite solar cells (TinPSCs). Here, we systematically study the ligand regulated crystallization process of TinPVK. We find that with elongated spin time, TinPVK crystals undergo reorientation and lateral growth. 3D α-phase FASnI3 and 2D (n = 2) and 2D (n = 1) phases emerge sequentially to form a “3D-over-2D” heterostructure via a proposed “diffusion-propagation” mechanism. TinPSCs exhibit improved open circuit voltage (V OC ) due to favorable energy level alignment of the 3D-over-2D heterostructure, with a champion PCE value of 13.07% and T 80 value of over 1200 h. Furthermore, this work provides mechanistic insights on controlled crystallization and heterostructure formation of TinPVKs, paving the way toward high-efficiency TinPSCs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Highly Distorted Chiral Two-Dimensional Tin Iodide Perovskites for Spin Polarized Charge Transport

Incorporating chiral organic molecules into organic/inorganic hybrid 2D-layered metal-halide perovskites results in a novel family of chiral hybrid semiconductors with unique spin-dependent properties. The embedded chiral organic moieties induce a chiroptical response from the inorganic metal-halide sublattice. However, the structural interplay between the chiral organic molecules and the inorganic sublattice, as well as their synergic effect on the resulting electronic band structure need to be explored in a broader material scope. Here we present three new layered tin iodide perovskites templated by chiral ( R/S -)methylbenzylammonium ( R/S -MBA), i.e. ( R-/S -MBA) 2 SnI 4 , and their racemic phase ( rac -MBA) 2 SnI 4 . These MBA 2 SnI 4 compounds exhibit the largest level of octahedral bond distortion compared to any other reported layered tin iodide perovskite. The incorporation of chiral MBA cations leads to circularly polarized absorption from the inorganic Sn–I sublattice, displaying chiroptical activity in the 300–500 nm wavelength range. The bandgap and chiroptical activity are modulated by alloying Sn with Pb, in the series of (MBA) 2 Pb 1-x Sn x I 4 . Finally, we show that vertical charge transport through oriented ( R-/S -MBA) 2 SnI 4 thin films is highly spin-dependent, arising from a chiral-induced spin selectivity (CISS) effect. We demonstrate a spin-polarization in the current-voltage characteristics as high as 94%. Our work shows the tremendous potential of these chiral hybrid semiconductors for controlling both spin and charge degrees of freedom.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Tin-graphene tubes as anodes for lithium-ion batteries with high volumetric and gravimetric energy densities

Limited by the size of microelectronics, as well as the space of electrical vehicles, there are tremendous demands for lithium-ion batteries with high volumetric energy densities. Current lithium-ion batteries, however, adopt graphite-based anodes with low tap density and gravimetric capacity, resulting in poor volumetric performance metric. Here, by encapsulating nanoparticles of metallic tin in mechanically robust graphene tubes, we show tin anodes with high volumetric and gravimetric capacities, high rate performance, and long cycling life. Pairing with a commercial cathode material LiNi0.6Mn0.2Co0.2O2, full cells exhibit a gravimetric and volumetric energy density of 590 W h Kg-1 and 1,252 W h L-1 , respectively, the latter of which doubles that of the cell based on graphite anodes. This work provides an effective route towards lithium-ion batteries with high energy density for a broad range of applications.

25 ENERGY STORAGE↗
DOE OSTI2020

Low-bandgap mixed tin–lead iodide perovskites with reduced methylammonium for simultaneous enhancement of solar cell efficiency and stability

High-performance perovskite/perovskite tandem solar cells require high-efficiency and stable low-bandgap perovskite subcells. State-of-the-art low-bandgap mixed tin–lead iodide perovskite solar cells exhibit either a high power-conversion efficiency or improved stability, but not both. In this article we report a two-step bilayer interdiffusion growth process to simultaneously meet both requirements for formamidinium-based low-bandgap mixed tin–lead iodide perovskite solar cells. The bilayer interdiffusion growth process allows for the formation of high-quality and large-grained perovskite films with only 10 mol% volatile methylammonium. Additionally, one-dimensional pyrrolidinium perovskite was applied to passivate the perovskite film and improve the junction quality, which resulted in a carrier lifetime of 1.1 µs and an open circuit voltage of 0.865 V for our perovskite film and device with a bandgap of 1.28 eV. Our strategies enabled a power-conversion efficiency of 20.4% for low-bandgap perovskite solar cells under AM 1.5G illumination. More importantly, an encapsulated device can retain 92% of its initial efficiency after 450 h of continuous 1 sun illumination.

14 SOLAR ENERGY↗
DOE OSTI2020

Structural trends in atomic nuclei from laser spectroscopy of tin

Tin is the chemical element with the largest number of stable isotopes. Its complete proton shell, comparable with the closed electron shells in the chemically inert noble gases, is not a mere precursor to extended stability; since the protons carry the nuclear charge, their spatial arrangement also drives the nuclear electromagnetism. We report high-precision measurements of the electromagnetic moments and isomeric differences in charge radii between the lowest 1/2 + , 3/2 + , and 11/2 - states in 117–131 Sn, obtained by collinear laser spectroscopy. Supported by state-of-the-art atomic-structure calculations, the data accurately show a considerable attenuation of the quadrupole moments in the closed-shell tin isotopes relative to those of cadmium, with two protons less. Linear and quadratic mass-dependent trends are observed. While microscopic density functional theory explains the global behaviour of the measured quantities, interpretation of the local patterns demands higher-fidelity modelling.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Comparing temperature convergence of shocked thin films of tin and iron to a bulk temperature source

An outstanding challenge in developing a complete equation of state for materials at elevated pressure and temperature is a robust method of determining the bulk temperature state under dynamic conditions. In metals, the determination of bulk temperature states by optical pyrometry is complicated by the small optical depth and thermal conduction effects. These effects lead to observed temperatures differing by 20% or more from the bulk temperature state. In this work, we show the presence of thermal conduction effects in temperature measurements of tin and iron coatings during dynamic compression experiments. We demonstrate that tin, in contrast to iron, coatings can fail to converge to a bulk temperature source over the time scale of the experiment, requiring the experimenter to modify assumptions, design, or analysis. This work bounds thermal transport at shocked conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Precision Mass Measurements Reveal Low Neutron Pairing in Tin beyond 𝑁=82 and Its Impact on Stellar Nucleosynthesis

We present a study on neutron-rich tin (𝑍 =50) isotopes beyond the doubly closed shell of 𝑁 = 82 through high-precision mass measurements, including the first-ever measurements of the masses of 136 Sn, 137 Sn, and 138 Sn isotopes. These measurements enhance our understanding of the nuclear structure and astrophysical nucleosynthesis in this previously unexplored region. The new mass data are used for evaluation of the final abundances of mass numbers 𝐴 =135 and 137 in 𝑟-process network calculations. Our findings reveal a notable change in the empirical pairing gap for tin isotopes beyond the 𝑁 = 82 closed shell and a shift in the two-neutron-separation energy slope compared to heavier elements above the shell closure. A new set of ab initio calculations effectively describes these observed trends.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Multiphase tin equation of state using density functional theory

In this work, we perform density functional theory (DFT) calculations of five solid phases and the liquid phase of tin. The calculations include cold curves of the five solid phases, phonon calculations in the quasiharmonic approximation over a range of volumes for each solid phase, and DFT-based molecular dynamics (DFT-MD) simulations of the liquid phase, including those of the melt curve using the Z method. Using the DFT results, we construct a tabular multiphase sesame equation of state for tin, referred to as sesame 2162. Comparisons to experimental data are made and show a high level of agreement in isobaric data, isothermal data, shock data, and phase boundary measurements, including measurements of the melt curve. The 2162 EOS will be useful for hydrodynamics simulations and has been designed with an eye toward hydrodynamics simulations that incorporate materials strength models and allow for modeling of the kinetics of phase transitions.

3-dimensional systems↗
DOE OSTI2025

Reducing Dark Conductivity of Cesium Tin Halide Perovskites with Donor Doping

The inorganic tin halide perovskites (such as Cs Sn Br 3 and Cs Sn I 3 ) exhibit high hole concentrations, which have been attributed to the presence of intrinsic defects such as cation vacancies. Despite their promise as photovoltaic materials, this high intrinsic conductivity limits deployment. Using hybrid density functional theory, we examine the impact of these intrinsic defects on the electronic properties of Cs Sn Br 3 and Cs Sn I 3 . We find that tin and cesium vacancies have low formation energies, especially under Sn -poor conditions, in agreement with prior work, and that the presence of these native acceptor defects can lead to high hole concentrations. However, effective donor doping of these systems can be obtained via Sc or Y incorporation. These impurities substitute on the Sn site, where they act as single donors. By examining the formation energy of these dopants versus the native defects, we show that Sc or Y doping should lead to a strong compensation, reducing hole concentrations under Sn -rich conditions. Published by the American Physical Society 2025

Lyons, John L. (ORCID:0000000180233055)↗
DOE OSTI2021

Structural Stability of Tin-Lead Halide Perovskite Solar Cells

One of the key features that makes halide perovskite solar cells such an attractive and intensely researched photovoltaic (PV) technology, is the tunability of the bandgap of these halide perovskite materials [1], [2]. Shortly after it was established that the bandgap could be increased to 1.7-1.8 eV, investigations into the application for silicon based tandem solar cells launched. Within a few years, conversion efficiencies of up to 28 % have been reported [3]. Concurrently, the interest in commercial application of this technology emerged and have rapidly increased. Whereas there are advantages to piggy backing on an established PV technology such as silicon, efforts to develop all-perovskite tandem solar cells are of considerable interest. Partly substituting the metal cation in the ABX3 perovskite enables the low bandgap absorbers required for an all-perovskite tandem solar cell. One common approach is to partially substitute the lead with tin, however these materials often suffered from poor stability. Therefore the development of an efficient, stable mixed tin-lead perovskite is key to enabling all-perovskite tandem solar cells.

degradation↗
DOE OSTI2021

An In-Depth Analysis of the Transformation of Tin Foil Anodes during Electrochemical Cycling in Lithium-Ion Batteries

Tin foils have an impressive lithium-storage capacity more than triple that of graphite anodes, and their adoption could facilitate a drastic improvement in battery energy density. However, implementation of a dense foil electrode architecture represents a significant departure from the standard blade-cast geometry with a distinct electrochemical environment, and this has led to confusion with regards to the first cycle efficiency of the system. In this work, we investigate the unique behavior of a tin active material in a foil architecture to understand its performance as an anode. We find shallow cycling of the foil results in an irreversible formation (< 40%) due to diffusional trapping, but intermediate and complete utilization allows for a remarkably reversible formation reaction (> 90%). This striking nonlinearity stems from an in situ transformation from bulk metal to porous electrode that occurs during formation cycles and defines electrode-level lithium-transport on subsequent cycles. As a result, an alternative cycling procedure for assessing the stability of foils is proposed to account for this chemomechanical effect.

25 ENERGY STORAGE↗
DOE OSTI2020

A Novel Low-Cost Method of Manufacturing Nb3Sn Superconductors with Multiple-Tin-Tube Sources (CRADA FRA-2008-0001 Final Report)

In order to successfully sustain a fusion reaction, peak magnetic fields on the order of 12-13 Tesla will be required. Magnetic fields of this magnitude can only be accomplished by advanced superconductors such as Nb3Sn. However, the economic success of a fusion machine will depend on further improvements in the cost-performance of the Nb3Sn conductor. This project will develop a novel, low-cost, multiple-tin-tube process as a new manufacturing approach for large-scale Nb3Sn-conductor production. The process will be suitable for the efficient production of larger strands (0.83 mm), consistent with ITER (International Thermonuclear Experimental Reactor) specifications. In Phase I, Cu/Nb composites were manufactured and shaped into sub-elements. These sub-elements were tin-coated by electroplating, assembled into a precise-fit restack billet tube, and drawn to 0.83 mm diameter. In Phase II, the process will be scaled-up to full production levels. The improved Nb3Sn conductor should have an immediate benefit for high-field magnet applications. A prototype fusion machine, based on a cost effective Nb3Sn conductor, would have enormous economic and social benefits. In addition, the conductor should be applicable to nuclear magnetic resonance (NMR), which has requirements for use in chemical research, biochemistry, pharmaceutical chemistry, polymer science, petroleum research, agricultural chemistry, and medicine. Leszek Motowidlo, Principal Investigator, will be responsible for the overall coordination of the effort. He and others of SupraMagnetics staff will design and fabricate protoype PIT Nb3Sn conductors for evaluation at Fermilab. Emanuela Barzi will be responsible for the Fermilab subcontract and will coordinate and supervise critical current testing Nb3Sn strands and cable fabrication and evaluation.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Using density functional theory to construct multiphase equations of state: tin as an example

We present a general methodology for using density functional theory (DFT) calculations as a basis for constructing multiphase equations of state (EOS). Focusing on tin as an example, we discuss the full process of generating a tabular EOS, starting from first-principles calculations and arriving at a full EOS in agreement with existing experimental data. We begin by describing DFT calculations for the five solid phases and liquid phase of tin, including cold curve, phonon, and DFT-based molecular dynamics calculations. We then discuss methods for incorporating DFT results into materials models used in OpenSesame, the program used to create a full tabular multiphase EOS. Next, we outline a general strategy for adjusting model parameters in OpenSesame to fit to a variety of experimental data, including isobaric data, isothermal data, shock data, solid-solid phase boundary measurements, and measurements of the melt curve. We end with a discussion of the advantages of using DFT data as a foundation for EOS generation and discuss potential strategies for automated EOS generation based on the fitting process highlighted in this work.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Magnesium production by molten salt electrolysis with liquid tin cathode and multiple effect distillation

Low-cost clean primary production of magnesium metal is important for its use in many applications, from light-weight structural components to energy technologies. This work describes new experiments and cost and emissions analysis for a magnesium metal production process. The process combines molten salt electrolysis of MgO using MgF₂-CaF₂ electrolyte and a reactive liquid tin cathode, with gravity-driven multiple effect thermal system (G-METS) distillation to separate out the magnesium product, and re-use of the tin. Electrolysis experiments with carbon anodes showed current yield above 90%, while a yttria-stabilized zirconia solid oxide membrane (SOM) anode experiment showed 84% current yield. G-METS distillation is an important component of the envisioned process. It can potentially lower costs and energy use considerably compared with conventional magnesium distillation. Techno-economic analysis including detailed mass and energy balances shows that this electrolyte composition could lower costs by utilizing CaO, which is the primary impurity in MgO, as the Hall-Héroult process uses the sodium impurity in alumina. Analysis options include: raw material types (magnesite rock vs. brine or seawater), drying and calcining using electricity vs. natural gas, and carbon vs. SOM anode type. Using SOM inert anodes results in a cost premium around 10%–15%, mostly due to higher electrical energy usage resulting from membrane resistance, and reduces GHG emissions by approximately 1 kg CO₂/kg Mg product. Capital and operating cost estimates, and cradle to gate greenhouse gas (GHG) emissions analysis under several raw material and process technology scenarios, show comparable costs and emissions to those of aluminum production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Integral Heat Transfer Test Method for Determining Thermal Resistance of Silicon Carbide Cladding and Liquid Tin System at Elevated Temperatures - Master's Thesis Presentation University of Idaho

Presentation for master's work at University of Idaho discussing Integral Heat Transfer Test Method for Determining Thermal Resistance of Silicon Carbide Cladding and Liquid Tin System at Elevated Temperatures. Presentation covers slight literature review results/previous work, discussions on system design and approach for thermal property measurement of SiC composite and Tin system, modeling efforts, and results.

36 - MATERIALS SCIENCE↗
DOE OSTI2024

Advances in Mixed Tin‐Lead Narrow‐Bandgap Perovskites for Single‐Junction and All‐Perovskite Tandem Solar Cells

Abstract Organic–inorganic metal‐halide perovskites have received great attention for photovoltaic (PV) applications owing to their superior optoelectronic properties and the unprecedented performance development. For single‐junction PV devices, although lead (Pb)‐based perovskite solar cells have achieved 26.1% efficiency, the mixed tin‐lead (Sn‐Pb) perovskites offer more ideal bandgap tuning capability to enable an even higher performance. The Sn‐Pb perovskite (with a bandgap tuned to ≈1.2 eV) is also attractive as the bottom subcell for a tandem configuration to further surpass the Shockley–Queisser radiative limit for the single‐junction devices. The performance of the all‐perovskite tandem solar cells has gained rapid development and achieved a certified efficiency up to 29.1%. In this article, the properties and recent development of state‐of‐the‐art mixed Sn‐Pb perovskites and their application in single‐junction and all‐perovskite tandem solar cells are reviewed. Recent advances in various approaches covering additives, solvents, interfaces, and perovskite growth are highlighted. The authors also provide the perspective and outlook on the challenges and strategies for further development of mixed Sn‐Pb perovskites in both efficiency and stability for PV applications.

14 SOLAR ENERGY↗
DOE OSTI2023

On the Durability of Tin‐Containing Perovskite Solar Cells

Abstract Tin (Sn)‐containing perovskite solar cells (PSCs) have gained significant attention in the field of perovskite optoelectronics due to lower toxicity than their lead‐based counterparts and their potential for tandem applications. However, the lack of stability is a major concern that hampers their development. To achieve the long‐term stability of Sn‐containing PSCs, it is crucial to have a clear and comprehensive understanding of the degradation mechanisms of Sn‐containing perovskites and develop mitigation strategies. This review provides a compendious overview of degradation pathways observed in Sn‐containing perovskites, attributing to intrinsic factors related to the materials themselves and environmental factors such as light, heat, moisture, oxygen, and their combined effects. The impact of interface and electrode materials on the stability of Sn‐containing PSCs is also discussed. Additionally, various strategies to mitigate the instability issue of Sn‐containing PSCs are summarized. Lastly, the challenges and prospects for achieving durable Sn‐containing PSCs are presented.

14 SOLAR ENERGY↗